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Key Documents

614106

Sigma-Aldrich

Cholic acid-2,2,3,4,4-d5

98 atom % D, 98% (CP)

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About This Item

Empirical Formula (Hill Notation):
C24D5H35O5
CAS Number:
Molecular Weight:
413.60
MDL number:
UNSPSC Code:
12352106
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

98 atom % D

Quality Level

Assay

98% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

200-201 °C (lit.)

mass shift

M+5

SMILES string

[2H][C@@]1(O)C([2H])([2H])C[C@@]2(C)[C@@](C[C@@H](O)[C@]3([H])[C@]2([H])C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](CCC(O)=O)C)([H])C1([2H])[2H]

InChI

1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/i8D2,10D2,15D

InChI key

BHQCQFFYRZLCQQ-VRLVFLRJSA-N

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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